[4-[3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]oxy-3-oxidanylidene-propyl]phenyl] 1,3,10-trimethylacridin-10-ium-9-carboxylate

Systemtic Name: [4-[3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]oxy-3-oxidanylidene-propyl]phenyl] 1,3,10-trimethylacridin-10-ium-9-carboxylate Openeye Name: [4-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxo-propyl]phenyl] 1,3,10-trimethylacridin-10-ium-9-carboxylate CAS Name: 1,3,10-trimethyl-9-acridin-10-iumcarboxylic acid [4-[3-[(2,5-dioxo-1-pyrrolidinyl)oxy]-3-oxopropyl]phenyl] ester IUPAC Name: [4-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]phenyl] 1,3,10-trimethylacridin-10-ium-9-carboxylate Traditional Name: 1,3,10-trimethylacridin-10-ium-9-carboxylic acid [4-(3-keto-3-succinimidooxy-propyl)phenyl] ester Formula: C30H27N2O6+ MolecularWeight: 511.54518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=[N+](C3=CC=CC=C3C(=C2C(=C1)C)C(=O)OC4=CC=C(C=C4)CCC(=O)ON5C(=O)CCC5=O)C

Isomeric SMILES

CC1=CC2=[N+](C3=CC=CC=C3C(=C2C(=C1)C)C(=O)OC4=CC=C(C=C4)CCC(=O)ON5C(=O)CCC5=O)C

InChI

InChI=1S/C30H27N2O6/c1-18-16-19(2)28-24(17-18)31(3)23-7-5-4-6-22(23)29(28)30(36)37-21-11-8-20(9-12-21)10-15-27(35)38-32-25(33)13-14-26(32)34/h4-9,11-12,16-17H,10,13-15H2,1-3H3/q+1